2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide

C11H18N2O2S — CID 134244860

IUPAC2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
SMILESNC(=O)C(CS)N1CC2(CCCCC2)C1=O
InChIInChI=1S/C11H18N2O2S/c12-9(14)8(6-16)13-7-11(10(13)15)4-2-1-3-5-11/h8,16H,1-7H2,(H2,12,14)
InChIKeyGKFKGOHUHMXLBH-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.56
Rot. Bonds3

About 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide

2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide (PubChem CID 134244860) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
PubChem CID134244860
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
SMILESNC(=O)C(CS)N1CC2(CCCCC2)C1=O
InChIInChI=1S/C11H18N2O2S/c12-9(14)8(6-16)13-7-11(10(13)15)4-2-1-3-5-11/h8,16H,1-7H2,(H2,12,14)
InChIKeyGKFKGOHUHMXLBH-UHFFFAOYSA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241870
7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
CID 167552850
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
2-azaspiro[3.5]nonane-2-carboxamide
CID 130620195
(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide
CID 139370883
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-(3-azaspiro[5.5]undecan-3-yl)butanamide
CID 62921660

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide (CID 134244860) is 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide is NC(=O)C(CS)N1CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
The InChIKey is GKFKGOHUHMXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-9(14)8(6-16)13-7-11(10(13)15)4-2-1-3-5-11/h8,16H,1-7H2,(H2,12,14).
What are the key properties of 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide?
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide has a molecular weight of 242.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 134244860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).